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Information card for entry 7005285
Preview
Coordinates | 7005285.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H46 Cu2 N4 O18 |
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Calculated formula | C30 H40 Cu2 N4 O18 |
SMILES | [Cu]123([NH]4CCOCCNCc5ccc(C[NH]([Cu]67([O]=C(C(=[O]1)O6)O3)OC(=O)C(=O)O7)CCOCCNCc1ccc(C4)cc1)cc5)OC(=O)C(=O)O2.O.O.O.O |
Title of publication | Dicopper(ii) complexes of a new di-para-xylyldioxatetraazamacrocycle and cascade species with dicarboxylate anions: thermodynamics and structural properties |
Authors of publication | Sílvia Carvalho; Rita Delgado; Michael G. B. Drew; Vítor Félix |
Journal of publication | Dalton Transactions |
Year of publication | 2007 |
Journal issue | 23 |
Pages of publication | 2431 |
a | 11.211 ± 0.015 Å |
b | 12.976 ± 0.017 Å |
c | 13.812 ± 0.018 Å |
α | 90° |
β | 110.18 ± 0.01° |
γ | 90° |
Cell volume | 1886 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1446 |
Residual factor for significantly intense reflections | 0.0995 |
Weighted residual factors for significantly intense reflections | 0.1757 |
Weighted residual factors for all reflections included in the refinement | 0.1923 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7005285.html
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